6-chlorooctanoic acid | 53431-84-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-chlorooctanoic acid
• 英文别名: 6-Chlor-octansaeure；6-Chloroktansaeure
• CAS: 53431-84-8
• 化学式: C₈H₁₅ClO₂
• 分子量: 178.659
• InChiKey: OJUAAXRSKOLWIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  7-chlorooctanoic acid 、 硫酸 以3%的产率得到
  参考文献：
  名称：

  KONEN, D. A.;SILBERT, L. S.;DOOLEY, C. J., J. ORG. CHEM., 1982, 47, N 14, 2779-2782

  摘要：

  DOI：

文献信息

• Practical and Selective sp ³ C−H Bond Chlorination via Aminium Radicals
  作者：Alastair J. McMillan、Martyna Sieńkowska、Piero Di Lorenzo、Gemma K. Gransbury、Nicholas F. Chilton、Michela Salamone、Alessandro Ruffoni、Massimo Bietti、Daniele Leonori

  DOI：10.1002/anie.202100030

  日期：2021.3.22

  also the fine‐tuning of physicochemical and biological properties of drugs, agrochemicals and polymers. We report here a general and practical photochemical strategy enabling the site‐selective chlorination of sp3 C−H bonds. This process exploits the ability of protonated N‐chloroamines to serve as aminium radical precursors and also radical chlorinating agents. Upon photochemical initiation, an efficient

  将氯原子引入有机分子对于工业化学品的制造、先进合成中间体的精制以及药物、农用化学品和聚合物的物理化学和生物特性的微调至关重要。我们在这里报告了一种通用且实用的光化学策略，能够实现 sp 3 C−H 键的位点选择性氯化。该过程利用了质子化的N-氯胺作为铵自由基前体和自由基氯化剂的能力。在光化学引发后，建立了有效的自由基链传播，由于存在大量兼容的官能团，因此允许多种底物的官能化。通过适当选择铵基，能够协同最大化 H 原子转移过渡态中的极性和空间效应，为自由基 sp 3 C−H 氯化提供了已知的最高选择性。
• 5-AMINOLEVULINIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USES THEREOF
  申请人：Rephaeli Ada

  公开号：US20140024710A1

  公开（公告）日：2014-01-23

  The present invention provides drug conjugates comprising 5-aminolevulinic acid (ALA), an aldehyde and a carboxylic acid that may function as a histone deacetylase inhibitor (HDACI). These conjugates may serve as co-drugs which release a plurality of active species in vivo. The novel drug conjugates may be used, for the treatment or prevention of cancer in PDT-dependent and/or PDT-independent (nonPDT) treatments, as well as for cosmetic uses. In addition the present invention provides novel uses for both the novel and known compounds. According to some embodiments, the present invention provides drug conjugates (co-drugs) comprising (i) ALA, (ii) an aldehyde and (iii) a carboxylic acid that may function as a histone deacetylase inhibitor (HDACO for the treatment of anemia and/or for the induction of erythropoiesis.

  本发明提供了药物偶联物，包括5-氨基戊酸（ALA）、醛和羧酸，可以作为组蛋白去乙酰化酶抑制剂（HDACI）。这些偶联物可以作为共同药物，在体内释放多种活性物质。这种新型药物偶联物可以用于光动力治疗依赖和非依赖（非PDT）治疗的癌症的治疗或预防，以及用于美容。此外，本发明还提供了新的用途，包括新的和已知化合物的用途。根据某些实施方式，本发明提供了药物偶联物（共同药物），包括（i）ALA、（ii）醛和（iii）羧酸，可以作为组蛋白去乙酰化酶抑制剂（HDACO），用于治疗贫血和/或诱导造血。
• US6461694B1
  申请人：——

  公开号：US6461694B1

  公开（公告）日：2002-10-08
• US9018257B2
  申请人：——

  公开号：US9018257B2

  公开（公告）日：2015-04-28
• [EN] 5-AMINOLEVULINIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USES THEREOF<br/>[FR] DÉRIVÉS D'ACIDE 5-AMINOLÉVULINIQUE, PROCÉDÉS POUR LEUR PRÉPARATION ET LEURS UTILISATIONS
  申请人：UNIV BAR ILAN

  公开号：WO2012127466A1

  公开（公告）日：2012-09-27

  The present invention provides drug conjugates comprising 5-aminolevulinic acid (ALA), an aldehyde and a carboxylic acid that may function as a histone deacetylase inhibitor (HDACI). These conjugates may serve as co-drugs which release a plurality of active species in vivo. The novel drug conjugates may be used, for the treatment or prevention of cancer in PDT-dependent and/or PDT-independent (nonPDT) treatments, as well as for cosmetic uses. In addition the present invention provides novel uses for both the novel and known compounds. According to some embodiments, the present invention provides drug conjugates (co-drugs) comprising (i) ALA, (ii) an aldehyde and (iii) a carboxylic acid that may function as a histone deacetylase inhibitor (HDACO for the treatment of anemia and/or for the induction of erythropoiesis.